5,6-dimethyl-2-oxo-N-[(4-phenylmorpholin-2-yl)methyl]-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 318638
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)NCC1CN(c2ccccc2)CCO1
• Canonical SMILES: O=C(c1cc(C)c([nH]c1=O)C)NCC1OCCN(C1)c1ccccc1
• InChI: InChI=1S/C19H23N3O3/c1-13-10-17(19(24)21-14(13)2)18(23)20-11-16-12-22(8-9-25-16)15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,20,23)(H,21,24)
• InChIKey: YHTTYINWHNEVBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-2-oxo-N-[(4-phenylmorpholin-2-yl)methyl]-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 5,6-dimethyl-2-oxo-N-[(4-phenylmorpholin-2-yl)methyl]-1H-pyridine-3-carboxamide
• Synonyms: 5,6-dimethyl-2-oxo-N-[(4-phenyl-2-morpholinyl)methyl]-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.003558
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2172624
• LogD (pH = 7.4): 1.2172074
• Log P: 1.2173038
• Molar Refractivity: 98.2019 cm^3
• Polarizability: 36.584267 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.65
• LOG S: -2.25
• Polar Surface Area: 74.43 Å^2
• Rotatable Bonds: 4